Bi1Mn1Se2
Bi1Mn1Se2 is a stable, semiconducting ternary bismuth chalcogenide used in the study and development of thermoelectric materials.
About Bi1Mn1Se2
Bi1Mn1Se2 is a semiconducting bismuth chalcogenide that occupies a stable position on the thermodynamic convex hull. As a member of this specialized class of materials, it represents a significant point of interest for researchers investigating complex ternary chalcogenide systems. Its structural diversity, evidenced by numerous reported configurations, highlights its potential for fine-tuning electronic and thermal transport properties.
This compound is primarily studied for its role in thermoelectric energy conversion, where its electronic character is leveraged to manage heat and charge flow. By integrating bismuth, manganese, and selenium, the material offers a unique chemical environment that distinguishes it from simpler binary chalcogenides, making it a candidate for high-performance solid-state cooling and power generation technologies.
Key Properties
Cross-validated computational properties for Bi1Mn1Se2, aggregated across 2 databases.
Band GapEnergy needed to move an electron from the valence band to the conduction band. Lower or zero values tend to behave more metallic; larger gaps are more insulating or semiconducting.
Energy Above HullThermodynamic distance from the most stable set of competing phases. 0 eV/atom is on the convex hull; small positive values may still be experimentally accessible.
StabilityA plain-language summary of the best reported energy-above-hull result. It reflects whether the lowest-energy structure is on, near, or far from the stability hull.
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
Reported Structures
Lowest-energy structures reported for Bi1Mn1Se2, ranked by energy above hull.
| Space GroupSymmetry classification of the crystal arrangement. The number is the international space-group index. | Crystal SystemBroad lattice family, such as cubic, tetragonal, monoclinic, or triclinic, derived from unit-cell symmetry. | Band Gap (eV)Electronic gap calculated for this specific reported structure, measured in electronvolts. | E above hull (eV/atom)Thermodynamic distance from the convex hull for this structure, normalized per atom. Lower is generally more stable. | E/atom (eV)Computed total energy normalized per atom. Use energy above hull, not this value alone, when comparing stability. | Density (g/cm³)Mass per relaxed crystal volume, reported in grams per cubic centimeter. |
|---|---|---|---|---|---|
| C2/m (No. 12) | monoclinic | 0.33 | 0.0000 | -27.586 | 6.46 |
| C2/m (No. 12) | — | — | — | — | — |
| Fm-3m (No. 225) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| F-43m (No. 216) | — | — | — | — | — |
| P4mm (No. 99) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| P4mm (No. 99) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
Applications
Where Bi1Mn1Se2 is used.
Frequently Asked Questions
Common questions about Bi1Mn1Se2, answered from cross-validated data.
What is Bi1Mn1Se2?
Bi1Mn1Se2 is a stable, semiconducting ternary bismuth chalcogenide used in the study and development of thermoelectric materials.
What is Bi1Mn1Se2 used for?
What is the band gap of Bi1Mn1Se2?
Is Bi1Mn1Se2 a metal, semiconductor, or insulator?
Is Bi1Mn1Se2 thermodynamically stable?
What is the crystal structure of Bi1Mn1Se2?
What is the density of Bi1Mn1Se2?
How many polymorphs of Bi1Mn1Se2 are known?
What elements does Bi1Mn1Se2 contain?
Where does the data for Bi1Mn1Se2 come from?
How It Compares
Within the bismuth chalcogenide thermoelectrics class.
Within the broader family of bismuth chalcogenides, Bi1Mn1Se2 serves as an intriguing ternary alternative to more conventional binary systems like Bi2Se3 or Bi2Te3. While those binary compounds are foundational benchmarks in the field, the inclusion of manganese in the Bi1Mn1Se2 lattice introduces magnetic and electronic complexities that are absent in simpler siblings like Sb2Se3, potentially allowing for greater control over thermoelectric efficiency.
Related Compounds
Other Bismuth Chalcogenide Thermoelectrics in the database.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
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